N-[1-(5-methylfuran-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine

C12H17N3O — CID 60971542

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
SMILESCc1ccc(C(C)NC(C)c2ccn[nH]2)o1
InChIInChI=1S/C12H17N3O/c1-8-4-5-12(16-8)10(3)14-9(2)11-6-7-13-15-11/h4-7,9-10,14H,1-3H3,(H,13,15)
InChIKeyXYSDXFBSFIPYAQ-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.72
Rot. Bonds4

About N-[1-(5-methylfuran-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine

N-[1-(5-methylfuran-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine (PubChem CID 60971542) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
PubChem CID60971542
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
SMILESCc1ccc(C(C)NC(C)c2ccn[nH]2)o1
InChIInChI=1S/C12H17N3O/c1-8-4-5-12(16-8)10(3)14-9(2)11-6-7-13-15-11/h4-7,9-10,14H,1-3H3,(H,13,15)
InChIKeyXYSDXFBSFIPYAQ-UHFFFAOYSA-N
XLogP2.72
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine (CID 60971542) is N-[1-(5-methylfuran-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine is Cc1ccc(C(C)NC(C)c2ccn[nH]2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine?
The InChIKey is XYSDXFBSFIPYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-4-5-12(16-8)10(3)14-9(2)11-6-7-13-15-11/h4-7,9-10,14H,1-3H3,(H,13,15).
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine?
N-[1-(5-methylfuran-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine has a molecular weight of 219.29 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine is sourced from PubChem (CID 60971542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).